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Sodium sulfite

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Sodium sulfite
IUPAC Name: disodium;sulfite
Molecular Formula: H2O3S
SMILES: [O-]S(=O)[O-].[Na+].[Na+]
Inchi: 1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2
Inchi Key: GEHJYWRUCIMESM-UHFFFAOYSA-L
Cas No: 7757-83-7

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 2
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 24437
Zinc: ZINC8383181
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 126.04
Mass (g/mol) 125.936
Molar Refractivity 9.83
Net Charge -2
HBD 5
HBA 6
Rt Bonds 0
Rings
TPSA 82.40
Hetero Atoms 4
Heavy Atoms 6
Aromatic Heavy Atoms 0
Melting Point (°C) >500
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 1.00
LogP -0.319
iLOGP 0.52
XLOGP3 -2.84
WLOGP -3.22
MLOGP -2.75
ESOL Log S 0.90
ESOL Solubility (mg/ml) 1430
ESOL Solubility (mol/l) 7.91
ESOL Class: esol_class Highly soluble
Ali Log S 1.08
Ali Solubility (mg/ml) 2160
Ali Solubility (mol/l) 12
Ali Class Highly soluble
Silicos-IT LogSw 2.17
Silicos-IT Solubility (mg/ml) 26300
Silicos-IT Solubility (mol/l) 146
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.42
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.594
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.72
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0